N-(3,4-dimethylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[3-(4-methoxyphenyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[3-(4-methoxyphenyl)propyl]-1,2,4-triazol-3-yl]thio]-N-(3,4-dimethylphenyl)acetamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CCCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CCCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C25H30N4O2S/c1-5-15-29-23(8-6-7-20-10-13-22(31-4)14-11-20)27-28-25(29)32-17-24(30)26-21-12-9-18(2)19(3)16-21/h5,9-14,16H,1,6-8,15,17H2,2-4H3,(H,26,30)